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Megahertz serial crystallography

Journal Article · · Nature Communications
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Here, the new European X-ray Free-Electron Laser is the first X-ray free-electron laser capable of delivering X-ray pulses with a megahertz inter-pulse spacing, more than four orders of magnitude higher than previously possible. However, to date, it has been unclear whether it would indeed be possible to measure high-quality diffraction data at megahertz pulse repetition rates. Here, we show that high-quality structures can indeed be obtained using currently available operating conditions at the European XFEL. We present two complete data sets, one from the well-known model system lysozyme and the other from a so far unknown complex of a β-lactamase from K. pneumoniae involved in antibiotic resistance. This result opens up megahertz serial femtosecond crystallography (SFX) as a tool for reliable structure determination, substrate screening and the efficient measurement of the evolution and dynamics of molecular structures using megahertz repetition rate pulses available at this new class of X-ray laser source.

Research Organization:
SLAC National Accelerator Laboratory (SLAC), Menlo Park, CA (United States)
Sponsoring Organization:
USDOE
Contributing Organization:
DESY
Grant/Contract Number:
AC02-76SF00515
OSTI ID:
1490639
Alternate ID(s):
OSTI ID: 1959486
Journal Information:
Nature Communications, Journal Name: Nature Communications Journal Issue: 1 Vol. 9; ISSN 2041-1723
Publisher:
Nature Publishing GroupCopyright Statement
Country of Publication:
United States
Language:
English

References (63)

Exploring the gas access routes in a [NiFeSe] hydrogenase using crystals pressurized with krypton and oxygen journal August 2020
Atomic Resolution Structures of CTX-M β-Lactamases: Extended Spectrum Activities from Increased Mobility and Decreased Stability journal April 2005
The Drug-Resistant Variant P167S Expands the Substrate Profile of CTX-M β-Lactamases for Oxyimino-Cephalosporin Antibiotics by Enlarging the Active Site upon Acylation journal June 2017
Molecular Mechanism of Avibactam-Mediated β-Lactamase Inhibition journal February 2015
Potential for biomolecular imaging with femtosecond X-ray pulses journal August 2000
Femtosecond X-ray protein nanocrystallography journal February 2011
Native structure of photosystem II at 1.95 Å resolution viewed by femtosecond X-ray pulses journal November 2014
Crystal structure of rhodopsin bound to arrestin by femtosecond X-ray laser journal July 2015
Structures of riboswitch RNA reaction states by mix-and-inject XFEL serial crystallography journal November 2016
A compact X-ray free-electron laser emitting in the sub-ångström region journal June 2012
Liquid explosions induced by X-ray laser pulses journal May 2016
Femtosecond diffractive imaging with a soft-X-ray free-electron laser journal November 2006
PARP1 exhibits enhanced association and catalytic efficiency with γH2A.X-nucleosome journal December 2019
Cavin1 intrinsically disordered domains are essential for fuzzy electrostatic interactions and caveola formation journal February 2021
Ror2 signaling regulates Golgi structure and transport through IFT20 for tumor invasiveness journal January 2017
Ceramic micro-injection molded nozzles for serial femtosecond crystallography sample delivery journal December 2015
Atomic structure of granulin determined from native nanocrystalline granulovirus using an X-ray free-electron laser journal February 2017
Detectors and Calibration Concept for the European XFEL journal July 2014
Gas dynamic virtual nozzle for generation of microscopic droplet streams journal September 2008
Emergence of ceftazidime/avibactam non-susceptibility in an MDR Klebsiella pneumoniae isolate journal June 2017
LIGPLOT: a program to generate schematic diagrams of protein-ligand interactions journal January 1995
Structural biology at the European X-ray free-electron laser facility journal July 2014
Generation of Steady Liquid Microthreads and Micron-Sized Monodisperse Sprays in Gas Streams journal January 1998
Phaser crystallographic software journal July 2007
CrystFEL : a software suite for snapshot serial crystallography journal March 2012
RADDOSE-3D : time- and space-resolved modelling of dose in macromolecular crystallography journal June 2013
Iterative model building, structure refinement and density modification with the PHENIX AutoBuild wizard journal December 2007
Crystallographic model quality at a glance journal February 2009
MolProbity : all-atom structure validation for macromolecular crystallography journal December 2009
PHENIX: a comprehensive Python-based system for macromolecular structure solution journal January 2010
The minimum crystal size needed for a complete diffraction data set journal March 2010
Features and development of Coot journal March 2010
Overview of the CCP 4 suite and current developments journal March 2011
Towards automated crystallographic structure refinement with phenix.refine journal March 2012
Crystallographic data processing for free-electron laser sources journal June 2013
The Rossmann Fourier autoindexing algorithm in MOSFLM journal October 1999
A beginner's guide to radiation damage journal February 2009
Breaking the indexing ambiguity in serial crystallography journal December 2013
Cheetah : software for high-throughput reduction and analysis of serial femtosecond X-ray diffraction data journal May 2014
Recent developments in CrystFEL journal March 2016
OnDA : online data analysis and feedback for serial X-ray imaging journal May 2016
Overview of the SACLA facility journal April 2015
The Linac Coherent Light Source journal April 2015
X-ray radiation damage to biological macromolecules: further insights journal January 2017
The slip-and-slide algorithm: a refinement protocol for detector geometry journal October 2017
Room-temperature macromolecular serial crystallography using synchrotron radiation journal May 2014
Mix-and-diffuse serial synchrotron crystallography journal October 2017
Rapid sample delivery for megahertz serial crystallography at X-ray FELs journal July 2018
Structures of riboswitch RNA reaction states by mix-and-inject XFEL serial crystallography journal May 2017
High-Resolution Protein Structure Determination by Serial Femtosecond Crystallography journal May 2012
Femtosecond structural dynamics drives the trans/cis isomerization in photoactive yellow protein journal May 2016
Femtosecond structural dynamics drives the trans/cis isomerization in photoactive yellow protein dataset January 2019
Enzyme intermediates captured “on the fly” by mix-and-inject serial crystallography journal May 2018
Accurate determination of segmented X-ray detector geometry journal January 2015
Three-dimensional-printed gas dynamic virtual nozzles for x-ray laser sample delivery journal January 2016
Rapid sample delivery for megahertz serial crystallography at X-ray FELs text January 2018
PHENIX: a comprehensive Python-based system for macromolecular structure solution. text January 2010
Overview of the CCP4 suite and current developments. text January 2011
Iterative model building, structure refinement and density modification with the PHENIX AutoBuild wizard. journalarticle January 2008
Accurate determination of segmented X-ray detector geometry text January 2015
Structures of riboswitch RNA reaction states by mix-and-inject XFEL serial crystallography text January 2016
Mix-and-diffuse serial synchrotron crystallography text January 2017
Rapid Sample Delivery for Megahertz Serial Crystallography at X-ray FELs text January 2018

Cited By (54)

Universal link between the boson peak and transverse phonons in glass journal October 2008
Membrane protein megahertz crystallography at the European XFEL journal November 2019
Ultracompact 3D microfluidics for time-resolved structural biology journal January 2020
Serial protein crystallography in an electron microscope journal February 2020
High-speed protein crystallography journal October 2018
Time-resolved serial femtosecond crystallography at the European XFEL journal November 2019
MHz data collection of a microcrystalline mixture of different jack bean proteins journal April 2019
Double-pulse speckle contrast correlations with near Fourier transform limited free-electron laser light using hard X-ray split-and-delay journal March 2020
Megahertz single-particle imaging at the European XFEL journal May 2020
3D printed nozzles on a silicon fluidic chip journal March 2019
Spatial and temporal pre-alignment of an X-ray split-and-delay unit by laser light interferometry journal April 2019
Advances and opportunities in ultrafast X-ray crystallography and ultrafast structural optical crystallography of nuclear and electronic protein dynamics journal September 2019
Evaluation of serial crystallographic structure determination within megahertz pulse trains journal November 2019
Budgeting the emittance of photoemitted electron beams in a space-charge affected emission regime for free-electron laser applications journal March 2020
Thermomechanical response of thickly tamped targets and diamond anvil cells under pulsed hard x-ray irradiation journal May 2020
Controlled beams of shock-frozen, isolated, biological and artificial nanoparticles journal March 2020
X-rays put molecules into a spin journal February 2019
An outlook on using serial femtosecond crystallography in drug discovery journal May 2019
Scaling Laws of an Exploding Liquid Column under an Intense Ultrashort X-Ray Pulse journal August 2019
3D printed droplet generation devices for serial femtosecond crystallography enabled by surface coating journal August 2019
DatView : a graphical user interface for visualizing and querying large data sets in serial femtosecond crystallography journal October 2019
The Adaptive Gain Integrating Pixel Detector at the European XFEL journal January 2019
A versatile liquid-jet setup for the European XFEL journal February 2019
The Single Particles, Clusters and Biomolecules and Serial Femtosecond Crystallography instrument of the European XFEL: initial installation journal April 2019
The Karabo distributed control system journal August 2019
XANES and EXAFS of dilute solutions of transition metals at XFELs journal August 2019
Linear array detector for online diagnostics of spectral distributions at MHz repetition rates journal September 2019
XGANDALF – extended gradient descent algorithm for lattice finding journal August 2019
Sample delivery for serial crystallography at free-electron lasers and synchrotrons journal January 2019
A guide to sample delivery systems for serial crystallography journal August 2019
Initial observations of the femtosecond timing jitter at the European XFEL journal January 2019
3D printed nozzles on a silicon fluidic chip text January 2019
Membrane protein megahertz crystallography at the European XFEL text January 2019
Serial protein crystallography in an electron microscope text January 2020
The Adaptive Gain Integrating Pixel Detector at the European XFEL text January 2019
Spatial and temporal pre-alignment of an X-ray split-and-delay unit by laser light interferometry text January 2019
The Single Particles, Clusters and Biomolecules and Serial Femtosecond Crystallography instrument of the European XFEL: initial installation text January 2019
Initial observations of the femtosecond timing jitter at the European XFEL text January 2019
XGANDALF – extended gradient descent algorithm for lattice finding text January 2019
Linear Array Detector for Online Diagnostics of Spectral Distributions at MHz Repetition Rates text January 2019
Membrane protein megahertz crystallography at the European XFEL text January 2019
Time-resolved serial femtosecond crystallography at the European XFEL text January 2019
Evaluation of serial crystallographic structure determination within megahertz pulse trains text January 2019
The Karabo distributed control system text January 2019
Ultracompact 3D microfluidics for time-resolved structural biology text January 2020
Ultracompact 3D microfluidics for time-resolved structural biology text January 2020
Serial protein crystallography in an electron microscope text January 2020
MHz Data Collection of a Microcrystalline mMxture of Different Jack Bean Proteins text January 2019
Double-pulse speckle contrast correlations with near Fourier transform limited free-electron laser light using hard split-and-delay text January 2020
Budgeting the Emittance of Photoemitted Electron Beams in a Space-Charge affected Emission Regime for Free-Electron Laser Applications text January 2020
Megahertz single-particle imaging at the European XFEL text January 2020
New Trends in Protein Crystallization and Protein Crystallography journal January 2020
Thermomechanical response of thickly tamped targets and diamond anvil cells under pulsed hard x-ray irradiation text January 2018
Linear array detector for online diagnostics of spectral distributions at MHz repetition rates text January 2019

Figures / Tables (8)

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36 MATERIALS SCIENCE
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